cis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

C11H15F2N3O — CID 158304425

IUPACcis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1CNc1ncnc(F)c1F
InChIInChI=1S/C11H15F2N3O/c12-9-10(13)15-6-16-11(9)14-5-7-3-1-2-4-8(7)17/h6-8,17H,1-5H2,(H,14,15,16)/t7-,8+/m0/s1
InChIKeyWUXAZYDQLFNALK-JGVFFNPUSA-N
MW243.26 g/mol
LogP1.72
Rot. Bonds3

About cis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol

cis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 158304425) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID158304425
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Namecis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1CNc1ncnc(F)c1F
InChIInChI=1S/C11H15F2N3O/c12-9-10(13)15-6-16-11(9)14-5-7-3-1-2-4-8(7)17/h6-8,17H,1-5H2,(H,14,15,16)/t7-,8+/m0/s1
InChIKeyWUXAZYDQLFNALK-JGVFFNPUSA-N
XLogP1.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol (CID 158304425) is cis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1CNc1ncnc(F)c1F.
What is the InChIKey of cis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is WUXAZYDQLFNALK-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H15F2N3O/c12-9-10(13)15-6-16-11(9)14-5-7-3-1-2-4-8(7)17/h6-8,17H,1-5H2,(H,14,15,16)/t7-,8+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol?
cis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 243.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[(5,6-difluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 158304425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).